(2E)-2-cyano-N-(2,5-dimethylphenyl)-3-{4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide

(2E)-2-cyano-N-(2,5-dimethylphenyl)-3-{4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide

Formula: C24H21N5O3S

SMILES: CC1=CC=C(C)C(NC(=O)C(=CC2=CC=C(SC3=NC(C)=CC(C)=N3)C(=C2)[N+]([O-])=O)C#N)=C1

IUPAC: (2E)-2-cyano-N-(2,5-dimethylphenyl)-3-{4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide

InChI: InChI=1S/C24H21N5O3S/c1-14-5-6-15(2)20(9-14)28-23(30)19(13-25)11-18-7-8-22(21(12-18)29(31)32)33-24-26-16(3)10-17(4)27-24/h5-12H,1-4H3,(H,28,30)/b19-11+

Composition: C (62.73%), H (4.61%), N (15.24%), O (10.44%), S (6.98%)

Molar Mass: 459.52

Atom Count: 54

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	459.13651073
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	FLTKVEXQEZHDKL-YBFXNURJSA-N
Lipinski's Rule of Five
Molar Refractivity	131.27
Topological Polar Surface Area	121.81
Polarizability	47.88
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H21N5O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00